N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C14H20N4OS — CID 49376878

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C)c2cnn(C)c2C)s1
InChIInChI=1S/C14H20N4OS/c1-6-12-16-9(3)13(20-12)14(19)17-8(2)11-7-15-18(5)10(11)4/h7-8H,6H2,1-5H3,(H,17,19)
InChIKeyQXMWWLCTAMIMBP-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.55
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49376878) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49376878
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(C)c2cnn(C)c2C)s1
InChIInChI=1S/C14H20N4OS/c1-6-12-16-9(3)13(20-12)14(19)17-8(2)11-7-15-18(5)10(11)4/h7-8H,6H2,1-5H3,(H,17,19)
InChIKeyQXMWWLCTAMIMBP-UHFFFAOYSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 49376878) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NC(C)c2cnn(C)c2C)s1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QXMWWLCTAMIMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-6-12-16-9(3)13(20-12)14(19)17-8(2)11-7-15-18(5)10(11)4/h7-8H,6H2,1-5H3,(H,17,19).
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49376878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).